Hello, 

Yeap, I  have seen the links on ATB. Indeed, the conversion  of  the bonded 
terms (in this file 54a8.ifp ?) will be not too hard, but it is not the case 
for the AA  topology  where several changes were done. 

So any help will be appreciate..

Stephane 

------------------------------

Message: 5
Date: Thu, 14 Feb 2013 11:18:17 +0100
From: "lloyd riggs" <lloyd.ri...@gmx.ch>
Subject: Re: [gmx-users] GROMOS54A8 parameters in GROMACS format
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Message-ID: <20130214101817.72...@gmx.net>
Content-Type: text/plain; charset="utf-8"

Dear Stephane Abel,

Theres a link I on the gromacs web site to ATB, or you can google it.  If it is 
not in Gromacs format you can just write a couple 6 liner scripts to re-format 
it by parsing into the gromacs format,

Stephan Watkins

-------- Original-Nachricht --------
> Datum: Wed, 13 Feb 2013 21:25:33 +0000
> Von: ABEL Stephane 175950 <stephane.a...@cea.fr>
> An: "gmx-users@gromacs.org" <gmx-users@gromacs.org>
> Betreff: [gmx-users] GROMOS54A8 parameters in GROMACS format

> Hello all,
>
> Does somebody know where i can find  the latest GROMOS force field (i.e.
> GROMOS54A8) described in [1]  in the GROMACS format (gromos54a7.ff) ?
>
> [1] Reif et al. J. Chem. Theory Comput. 2013, 9, 1247???1264 doi:
> http://pubs.acs.org/doi/citedby/10.1021/ct300156h
>
> Thank you
>
> Stephane


------------------------------

--
gmx-users mailing list
gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!

End of gmx-users Digest, Vol 106, Issue 73
******************************************
--
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to